2-[[3-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]phenyl]diazenyl]-5-nitro-benzoic acid

Systemtic Name: 2-[[3-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]phenyl]diazenyl]-5-nitro-benzoic acid Openeye Name: 2-[3-[(4-amino-5-hydroxy-5-oxo-pentanoyl)amino]phenyl]azo-5-nitro-benzoic acid CAS Name: 2-[3-[(4-amino-5-hydroxy-1,5-dioxopentyl)amino]phenyl]azo-5-nitrobenzoic acid IUPAC Name: 2-[[3-[(4-amino-5-hydroxy-5-oxopentanoyl)amino]phenyl]diazenyl]-5-nitrobenzoic acid Traditional Name: 2-[3-[(4-amino-5-hydroxy-5-keto-pentanoyl)amino]phenyl]azo-5-nitro-benzoic acid Formula: C18H17N5O7 MolecularWeight: 415.35688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCC(C(=O)O)N)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCC(C(=O)O)N)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H17N5O7/c19-14(18(27)28)5-7-16(24)20-10-2-1-3-11(8-10)21-22-15-6-4-12(23(29)30)9-13(15)17(25)26/h1-4,6,8-9,14H,5,7,19H2,(H,20,24)(H,25,26)(H,27,28)